SCHEMBL4656019

SCHEMBL4656019

Cc1cc(C)c(S(=O)(=O)NC(CN(C=O)c2cn(CCc3ccccc3)c3c(F)c(CNc4nc(C)c[nH]4)c(F)cc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.36
ITGB3 P05106 15/20 0.36
NR3C1 P04150 2/20 0.34
ITGA2B P08514 6/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1070535 0.86 ITGAV (0.50) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL6031988 0.80 ITGAV (0.34) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7392362 0.77 ITGB3 (0.36) ITGAVITGB3NR3C1ITGA2BITGB1
SCHEMBL1071117 0.77 ITGAV (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL1071135 0.77 ITGAV (0.48) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL1066573 0.76 ITGAV (0.48) ITGAVITGB3ITGA2B
SCHEMBL1070634 0.76 ITGAV (0.49) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL1070404 0.75 ITGAV (0.49) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL27577414 0.75 KDM4E (0.36) ITGAVITGB3
SCHEMBL1069186 0.74 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP claimed